Type:
Small moleculeAlogP:
3.77Polar Surface Area:
109.91HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.30DETAILS
ALA502491Name:
4-O-methylphorbol-12myristate-13-acetateCas Number:
57716-89-9Mol. Formula:
C37H58O8M.W.:
630.86Type:
Small moleculeAlogP:
6.41Polar Surface Area:
119.36HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
68.36HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
4.36Polar Surface Area:
47.78HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
56.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS-
Type:
Small moleculeAlogP:
2.67Polar Surface Area:
56.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
56.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.50Polar Surface Area:
56.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
56.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.00Polar Surface Area:
56.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
1.61Polar Surface Area:
56.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
1.22Polar Surface Area:
56.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
1.52Polar Surface Area:
67.75HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
2.18Polar Surface Area:
67.75HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
5.76Polar Surface Area:
67.75HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA504942
Name:
10-butylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dioneCas Number:
59997-19-2Mol. Formula:
C15H15N3O2M.W.:
269.30Type:
Small moleculeAlogP:
1.99Polar Surface Area:
67.75HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
64.98HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
81.21HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
53.06HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
4.63Polar Surface Area:
42.20HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
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